SCHEMBL2964605

SCHEMBL2964605

CC(C)OCCCCOCCCCOC(=O)CCCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
DGKA P23743 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.39
PAM P19021 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PLA2G4B P0C869 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 3/20 0.35
EPHX2 P34913 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2953064 0.92 ALDH1A1 (0.38) ALDH1A1DGKANPC1TSHRMAPT
SCHEMBL3028188 0.89 DGKA (0.46) ALDH1A1DGKANPC1TSHRPAM
SCHEMBL2955661 0.86 DGKA (0.50) ALDH1A1DGKANPC1TSHRPAM
SCHEMBL17148353 0.85 DGKA (0.53) ALDH1A1DGKATSHRPAMPRSS1
SCHEMBL14018898 0.84 ALDH1A1 (0.56) ALDH1A1TSHRPPARALMNA
SCHEMBL2960370 0.84 ALDH1A1 (0.42) ALDH1A1DGKANPC1TSHRPAM
Adipic Acid SCHEMBL2958565 0.83 GPR84 (0.50) ALDH1A1TSHRPPARALMNAEPHX2
SCHEMBL5903338 0.82 ALDH1A1 (0.59) ALDH1A1TSHRPPARALMNA
SCHEMBL18993011 0.82 ALDH1A1 (0.59) ALDH1A1TSHRPPARALMNA
SCHEMBL9614974 0.82 ALDH1A1 (0.59) ALDH1A1TSHRPPARALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392314-B1 OILY HAIR COSMETIC KOKYU ALCOHOL KOGYO CO LTD (JP) 2019-08-14 EP disclosed
US-8562957-B2 Oily hair cosmetics KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2013-10-22 US disclosed
US-20100203003-A1 Oily Hair Cosmetics KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-12 US disclosed
US-7766978-B2 Acidic hair dyeing method KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-03 US disclosed
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 ALDH1A1 81/4885DGKA 2503/4885NPC1 1614/4885
US-20100203003-A1 Oily Hair Cosmetics H1-0, H1-2, H1-3 ALDH1A1 2116/4885DGKA 781/4885NPC1 1382/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.